Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001842
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article7 compound
IUPAC NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-7-methoxy-5-[(4-methylpiperidin-1-yl)oxy]quinazolin-4-amine
FormulaC27H28ClN5O3
Mass505.996
Exact Mass505.1880675
Composition C (64.09%), H (5.58%), Cl (7.01%), N (13.84%), O (9.49%)
Atom Count64
PI9.79
Smilesc1(c2c(ON3CC[C@@H](CC3)C)cc(cc2ncn1)OC)Nc1cc(c(OCc2ncccc2)cc1)Cl
InChI1S/C27H28ClN5O3/c1-18-8-11-33(12-9-18)36-25-15-21(34-2)14-23-26(25)27(31-17-30-23)32-19-6-7-24(22(28
)13-19)35-16-20-5-3-4-10-29-20/h3-7,10,13-15,17-18H,8-9,11-12,16H2,1-2H3,(H,30,31,32)
InChIKeyDXHVWHPBMGIYNQ-UHFFFAOYSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference16055332
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 44403420
Drug Bank Link -
ChemSpider Link 23261667
ChEMBL Link CHEMBL444619
 
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